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Density Functional Theory (DFT) is the de facto workhorse for large-scale electronic structure calculations in chemistry and materials science. While plane-wave DFT implementations remain the most widely used, real-space DFT provides…
We present PyWolf, an open-source software capable of performing numerical simulations of partially coherent light propagation from two-dimensional light sources. PyWolf computes the evolution of a user-defined cross-spectral density…
Qhronology is a novel scientific-computing package for studying quantum models of closed timelike curves (CTCs) and simulating general quantum information processing and computation. Written in Python, the program provides a comprehensive…
We present PyWiFeS, a new Python-based data reduction pipeline for the Wide Field Spectrograph (WiFeS). PyWiFeS consists of a series of core data processing routines built on standard scientific Python packages commonly used in astronomical…
While classical skyline queries identify interesting data within large datasets, flexible skylines introduce preferences through constraints on attribute weights, and further reduce the data returned. However, computing these queries can be…
Deep metric learning algorithms have a wide variety of applications, but implementing these algorithms can be tedious and time consuming. PyTorch Metric Learning is an open source library that aims to remove this barrier for both…
Geoff is a collection of Python packages that form a framework for automation of particle accelerator controls. With particle accelerator laboratories around the world researching machine learning techniques to improve accelerator…
We present a cross-language C++/Python program for simulations of quantum mechanical systems with the use of Quantum Monte Carlo (QMC) methods. We describe a system for which to apply QMC, the algorithms of variational Monte Carlo and…
Transiting exoplanet parameter estimation from time-series photometry and Doppler spectroscopy is fundamental to study planets' internal structures and compositions. Here we present the code pyaneti, a powerful and user-friendly software…
The aim of this paper is to give a presentation of the Python toolbox YALTAPy dedicated to the stability study of standard and fractional delay systems as well as its online version YALTAPy_Online. Both toolboxes are derived from YALTA…
QMetro++ is a Python package that provides a set of tools for identifying optimal estimation protocols that maximize quantum Fisher information (QFI). Optimization can be performed for arbitrary configurations of input states,…
We present a light and fast, public available, ray-tracer {\tt Splotch} software tool which supports the effective visualization of cosmological simulations data. We describe the algorithm it relies on, which is designed in order to deal…
We present the open-source image processing software package PySAP (Python Sparse data Analysis Package) developed for the COmpressed Sensing for Magnetic resonance Imaging and Cosmology (COSMIC) project. This package provides a set of…
pyforce is a Python package implementing Data-Driven Reduced Order Modelling techniques for applications to multi-physics problems, mainly set in the Nuclear Engineering world. The package is part of the ROSE (Reduced Order modelling with…
We discuss the current development of MC/DC (Monte Carlo Dynamic Code). MC/DC is primarily designed to serve as an exploratory Python-based MC transport code. However, it seeks to offer improved performance, massive scalability, and backend…
We investigate the feasibility of high performance scientific computation using cloud computers as an alternative to traditional computational tools. The availability of these large, virtualized pools of compute resources raises the…
Deep learning frameworks have often focused on either usability or speed, but not both. PyTorch is a machine learning library that shows that these two goals are in fact compatible: it provides an imperative and Pythonic programming style…
KV cache restoration has emerged as a dominant bottleneck in serving long-context LLM workloads, including multi-turn conversations, retrieval-augmented generation, and agentic pipelines. Existing approaches treat restoration as a…
Aims: The interactive software package iCosmo, designed to perform cosmological calculations is described. Methods: iCosmo is a software package to perform interactive cosmological calculations for the low redshift universe. Computing…
To support the growing demands of neuroscience applications, researchers are transitioning to cloud computing for its scalable, robust and elastic infrastructure. Nevertheless, large datasets residing in object stores may result in…